UCSF

ZINC16805220

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.48 13.82 -61.4 0 5 -1 70 454.546 7
Mid Mid (pH 6-8) 5.93 11.96 -27.1 1 5 0 67 455.554 6
Mid Mid (pH 6-8) 4.90 12.97 -20.7 0 5 0 64 455.554 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )